(2S)-2-[(4-Methyl-6-Oxo-3H-Pyrimidin-2-Yl)Sulfanyl]Propionic acid
[CAS# 347341-65-5]

Identification

• Name: (2S)-2-[(4-Methyl-6-Oxo-3H-Pyrimidin-2-Yl)Sulfanyl]Propionic acid
• Synonyms: (2S)-2-[(4-Methyl-6-Oxo-3H-Pyrimidin-2-Yl)Thio]Propanoate; (2S)-2-[(4-Keto-6-Methyl-1H-Pyrimidin-2-Yl)Thio]Propionate; Zinc00316912
• Molecular Formula: C₈H₉N₂O₃S
• Molecular Weight: 213.23
• CAS Registry Number: 347341-65-5
• SMILES: [C@H](SC1=NC(=O)C=C(N1)C)(C)C([O-])=O
• InChI: 1S/C8H10N2O3S/c1-4-3-6(11)10-8(9-4)14-5(2)7(12)13/h3,5H,1-2H3,(H,12,13)(H,9,10,11)/p-1/t5-/m0/s1
• InChIKey: XKHMCYLUZMJEIA-YFKPBYRVSA-M

Properties

• Boiling point: 386.482°C at 760 mmHg (Cal.)
• Flash point: 187.538°C (Cal.)